ethyl 2-azanyl-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[2,5-dimethyl-3-[(4-methyl-1-piperazinyl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperazino)methyl]phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC(=C3C)CN4CCN(CC4)C)C)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC(=C3C)CN4CCN(CC4)C)C)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C28H39N3O4/c1-7-34-27(33)25-23(24-21(32)14-28(4,5)15-22(24)35-26(25)29)20-13-17(2)12-19(18(20)3)16-31-10-8-30(6)9-11-31/h12-13,23H,7-11,14-16,29H2,1-6H3